General Information of the Compound
| Compound ID |
CP0891921
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| Compound Name |
3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-8-(3,5-dimethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-3-yl]-acrylic acid methyl ester
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| Structure |
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| Formula |
C29H49N3O10SSi2
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| Molecular Weight |
687.961
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| Canonical SMILES |
COC(=O)/C=C/C1=C(N)[C@@]2(OS1(=O)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n1cc(C)c(=O)n(C)c1=O)[C@@H]2O[Si](C)(C)C(C)(C)C
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| InChI |
InChI=1S/C29H49N3O10SSi2/c1-18-16-32(26(35)31(8)24(18)34)25-23(41-45(12,13)28(5,6)7)29(20(40-25)17-39-44(10,11)27(2,3)4)22(30)19(43(36,37)42-29)14-15-21(33)38-9/h14-16,20,23,25H,17,30H2,1-13H3/b15-14+/t20-,23+,25-,29+/m1/s1
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| InChIKey |
BSUSHOQQCFXHCW-ZUDXKBELSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound